4-[(4-fluoranyl-3-methyl-phenyl)amino]-N-(1-methylpiperidin-4-yl)thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 4-[(4-fluoranyl-3-methyl-phenyl)amino]-N-(1-methylpiperidin-4-yl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(4-fluoro-3-methyl-anilino)-N-(1-methyl-4-piperidyl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-(4-fluoro-3-methylanilino)-N-(1-methyl-4-piperidinyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-(4-fluoro-3-methylanilino)-N-(1-methylpiperidin-4-yl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-(4-fluoro-3-methyl-anilino)-N-(1-methyl-4-piperidyl)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C20H22FN5OS MolecularWeight: 399.484983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=C3C=C(SC3=NC=N2)C(=O)NC4CCN(CC4)C)F

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=C3C=C(SC3=NC=N2)C(=O)NC4CCN(CC4)C)F

InChI

InChI=1S/C20H22FN5OS/c1-12-9-14(3-4-16(12)21)24-18-15-10-17(28-20(15)23-11-22-18)19(27)25-13-5-7-26(2)8-6-13/h3-4,9-11,13H,5-8H2,1-2H3,(H,25,27)(H,22,23,24)